Describing Electron Correlation Effects in the Framework of the Elongation Method-Elongation-MP2: Formalism, Implementation and Efficiency

作者：Makowski Marcin^*; Korchowiec Jacek; Gu Feng Long; Aoki Yuriko

来源：Journal of Computational Chemistry, 2010, 31(8): 1733-1740.

DOI：10.1002/jcc.21462

• local methods
• linear scaling
• elongation method
• perturbation theory

The extension of the elongation method into description of electron correlation effects at ab intio level is presented. The formalism and implementation of the elongation-MP2 methodology is discussed. The results of calculations for model systems are presented to illustrate efficiency and accuracy of the method. Directions of the further development are highlighted.

• 出版日期2010-6